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Chemical Anisotropies of Carbon Nanotubes and Fullerenes Caused by the Curvature Directivity
Author(s) -
Li Junqian,
Jia Guixiao,
Zhang Yongfan
Publication year - 2007
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200700067
Subject(s) - fullerene , curvature , carbon nanotube , reactivity (psychology) , anisotropy , materials science , computational chemistry , nanotechnology , chemical physics , crystallography , molecular physics , chemistry , physics , geometry , optics , organic chemistry , mathematics , medicine , alternative medicine , pathology
The directional‐curvature theory is developed as a rational basis for the strain energy and the chemical reactivity in single‐walled carbon nanotubes (SWCNTs) and fullerenes. The directional curvature K D and its mean K M , derived from this theory, cover the overall curvatures of their bonds and atoms and break through the limitations of the pyramidalized‐angle θ p approach, which is only available to atomic curvature. The directional‐curvature theory demonstrates that K D and K M depend directly on the strain or reactive binding energies of the bonds and atoms and that there is approximate curvature conservation in SWCNTs and fullerenes. Application of this theory to addition reactions of various SWCNTs and fullerenes shows that the slope of the straight line between the strain or binding energies and K D is close to a constant, which helps clarify the puzzle as to why some functionalizations of C 70 occur at the relatively flat midsection.